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Heterocyclic building blocks

2-Phenylethylamine glucuronide

Also known as beta-D-Glucopyranuronic acid, 1-deoxy-1-((2-phenylethyl)amino)-, Phenethylamine glucuronide, N-(2-Phenylethyl)hexopyranuronosylamine

CAS 51643-42-6Formula C14H19NO6Molar mass 297.31 g/mol
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2-Phenylethylamine glucuronide chemical structure, C14H19NO6, CAS 51643-42-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
51643-42-6
Formula
C14H19NO6
Molar mass
297.31 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is 2-Phenylethylamine glucuronide?

Plain description, key identifiers and synonyms

Phenethylamine glucuronide is a N-glycosyl compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethylamino)oxane-2-carboxylic acid
CAS number
51643-42-6 CAS number cross-checked
Molecular formula
C14H19NO6
InChIKey
OYNLGXUYULDVEJ-IEECTRCBSA-N
InChI
InChI=1S/C14H19NO6/c16-9-10(17)12(14(19)20)21-13(11(9)18)15-7-6-8-4-2-1-3-5-8/h1-5,9-13,15-18H,6-7H2,(H,19,20)/t9-,10-,11+,12-,13+/m0/s1
Canonical SMILES
O=C(O)C1OC(NCCc2ccccc2)C(O)C(O)C1O
Isomeric SMILES
C1=CC=C(C=C1)CCN[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

Synonyms

  • beta-D-Glucopyranuronic acid, 1-deoxy-1-((2-phenylethyl)amino)-
  • Phenethylamine glucuronide
  • N-(2-Phenylethyl)hexopyranuronosylamine
  • N-(2-Phenylethyl)-beta-D-glucopyranuronosylamine
  • (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethylamino)oxane-2-carboxylic acid
  • (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-phenylethyl)amino]oxane-2-carboxylic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
297.31 g/molcalc.
Exact mass
297.1212 Dacalc.
LogP (octanol/water)
-1.29calc.
Topological polar surface area
119.3 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(CCNC2CCCCO2)cc1

c1ccc(CCNC2CCCCO2)cc1

2 rings, 15 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

2-Phenylethylamine glucuronide suppliers

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2-Phenylethylamine glucuronide price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 2-Phenylethylamine glucuronide is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 2-Phenylethylamine glucuronide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2-Phenylethylamine glucuronide, based on the data on this page

What is 2-Phenylethylamine glucuronide?

Phenethylamine glucuronide is a N-glycosyl compound.

What is the CAS number of 2-Phenylethylamine glucuronide?

The CAS registry number of 2-Phenylethylamine glucuronide is 51643-42-6.

What is the molecular formula and weight of 2-Phenylethylamine glucuronide?

The molecular formula of 2-Phenylethylamine glucuronide is C14H19NO6 and its molar mass is 297.31 g/mol.

What is 2-Phenylethylamine glucuronide used for?

Known uses and roles of 2-Phenylethylamine glucuronide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2-Phenylethylamine glucuronide hazardous?

No GHS hazard classification for 2-Phenylethylamine glucuronide is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 2-Phenylethylamine glucuronide?

2-Phenylethylamine glucuronide is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 2-Phenylethylamine glucuronide?

Post a free request on CompoundList and suppliers of 2-Phenylethylamine glucuronide will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 2-Phenylethylamine glucuronide?

Suppliers quote 2-Phenylethylamine glucuronide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 2-Phenylethylamine glucuronide

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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